SCHEMBL136108

SCHEMBL136108

Nc1sc2c(c1C(=O)c1ccccc1)CCC2

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.94
ALDH1A1 P00352 6/20 0.94
HPGD P15428 4/20 0.94
LMNA P02545 2/20 0.94
GAA P10253 1/20 0.94
TDP1 Q9NUW8 2/20 0.69
ADORA1 P30542 1/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
RECQL P46063 1/20 0.61
TAAR1 Q96RJ0 2/20 0.59
HSD17B10 Q99714 2/20 0.57
USP2 O75604 1/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1637546 0.97 ALDH1A1 (1.00) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL5851585 0.95 ALDH1A1 (0.97) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL5850967 0.88 ALDH1A1 (0.84) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL3656064 0.86 ALDH1A1 (0.81) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL138601 0.85 TDP1 (0.94) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL4057532 0.85 TDP1 (0.70) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL133029 0.85 TDP1 (0.70) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL5675370 0.83 ALDH1A1 (0.67) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL5852671 0.83 ALDH1A1 (0.69) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL134640 0.82 MEN1 (0.67) MAPTALDH1A1HPGDLMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
CN-101120003-B Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE 2010-06-16 CN disclosed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
CN-101120003-A Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-7019027-B2 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-28 US disclosed
US-20040180948-A1 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-16 US disclosed
US-6713638-B2 TREATING ISCHEMIC DISEASE, CARDIAC ARRHYTHMIAS, CHRONIC PAIN, INDUCING SLEEP IN A MAMMAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-30 US disclosed
US-20030078248-A1 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030078248-A1 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors ADORA1, ADORA2A, ADORA3 MAPT 4206/4885ALDH1A1 521/4885HPGD 2523/4885
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 MAPT 1326/4885ALDH1A1 3097/4885HPGD 4427/4885
US-20040180948-A1 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors ADORA1, ADORA2A, ADORA3 MAPT 4206/4885ALDH1A1 521/4885HPGD 2523/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS MAPT 2061/4885ALDH1A1 1925/4885HPGD 466/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS MAPT 2061/4885ALDH1A1 1925/4885HPGD 466/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.